N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide

C17H28F3N3O3 — CID 51130336

IUPACN-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28F3N3O3/c1-12(26-11-17(18,19)20)15(24)21-14-7-9-23(10-8-14)16(25)22-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyZEXMFZXDWXJSKX-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.58
Rot. Bonds5

About N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide

N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide (PubChem CID 51130336) has the molecular formula C17H28F3N3O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide
PubChem CID51130336
Molecular FormulaC17H28F3N3O3
Molecular Weight379.42 g/mol
Exact Mass379.21
IUPAC NameN-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H28F3N3O3/c1-12(26-11-17(18,19)20)15(24)21-14-7-9-23(10-8-14)16(25)22-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyZEXMFZXDWXJSKX-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide (CID 51130336) is N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide is CC(OCC(F)(F)F)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide?
The InChIKey is ZEXMFZXDWXJSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3N3O3/c1-12(26-11-17(18,19)20)15(24)21-14-7-9-23(10-8-14)16(25)22-13-5-3-2-4-6-13/h12-14H,2-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide?
N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(2,2,2-trifluoroethoxy)propanoylamino]piperidine-1-carboxamide is sourced from PubChem (CID 51130336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).